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Molecule
Vinyloxirane
CAS: 930-22-3 · C4H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 930-22-3
- Molecular Formula
- C4H6O
- Molecular Mass
- 70.09 g/mol
Identifiers
CAS Registry Number
930-22-3
SMILES
C=CC1CO1
InChI Key
GXBYFVGCMPJVJX-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
Names and Synonyms
- Vinyloxirane Synonym
- Oxirane, 2-ethenyl- Synonym
- 1-Butene, 3,4-epoxy- Synonym
- Oxirane, ethenyl- Synonym
- 2-Ethenyloxirane Synonym
- 1,2-Epoxy-3-butene Synonym
- Butadiene monoxide Synonym
- Ethenyloxirane Synonym
- 1,2-Oxido-3-butene Synonym
- 3,4-Epoxy-1-butene Synonym
- Butadiene monoepoxide Synonym
- 1,3-Butadiene oxide Synonym
- Vinyloxirane Synonym
- Butene 3,4-epoxide Synonym
- Butadiene epoxide Synonym
- 1,3-Butadiene monooxide Synonym
- Butadiene monooxide Synonym
- 2-Vinyloxirane Synonym
- Vinyl epoxide Synonym
- 1,3-Butadiene monoepoxide Synonym
- Epoxybutadiene Synonym
- (±)-Vinyloxirane Synonym
- NSC 24251 Synonym
- NSC 8023 Synonym
- 1,3-Butadiene monoxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 70.09 g/mol | CAS Common Chemistry |
| 70.091 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9006 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 68 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1C=C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GXBYFVGCMPJVJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -135 °C | CAS Common Chemistry |
| Name | Vinyloxirane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 0.5711999999999999 | RDKit |
| 0.5712 | RDKit | |
| Molar Refractivity | 19.936999999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 70.041864812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 70.09 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O.
